# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.49335669
_cell_length_b   14.49653658
_cell_length_c   47.39026285
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al252
_cell_volume   9473.81100741
_cell_formula_units_Z   252
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.798385  0.132658  0.285136  1
  Al  Al2  1  0.131719  0.799324  0.285136  1
  Al  Al3  1  0.051516  0.052516  0.325671  1
  Al  Al4  1  0.423669  0.091324  0.304346  1
  Al  Al5  1  0.757002  0.757990  0.304346  1
  Al  Al6  1  0.090335  0.424657  0.304346  1
  Al  Al7  1  0.465052  0.465991  0.285136  1
  Al  Al8  1  0.384849  0.719183  0.325671  1
  Al  Al9  1  0.718182  0.385849  0.325671  1
  Al  Al10  1  0.884849  0.219183  0.325671  1
  Al  Al11  1  0.218182  0.885849  0.325671  1
  Al  Al12  1  0.257002  0.257990  0.304346  1
  Al  Al13  1  0.631719  0.299324  0.285136  1
  Al  Al14  1  0.965052  0.965991  0.285136  1
  Al  Al15  1  0.298385  0.632658  0.285136  1
  Al  Al16  1  0.551516  0.552516  0.325671  1
  Al  Al17  1  0.590335  0.924657  0.304346  1
  Al  Al18  1  0.923669  0.591324  0.304346  1
  Al  Al19  1  0.698302  0.199284  0.336756  1
  Al  Al20  1  0.031635  0.865951  0.336756  1
  Al  Al21  1  0.069667  0.237328  0.314106  1
  Al  Al22  1  0.444113  0.278420  0.294398  1
  Al  Al23  1  0.777446  0.945087  0.294398  1
  Al  Al24  1  0.110780  0.611754  0.294398  1
  Al  Al25  1  0.364968  0.532617  0.336756  1
  Al  Al26  1  0.403000  0.903994  0.314106  1
  Al  Al27  1  0.736334  0.570661  0.314106  1
  Al  Al28  1  0.864968  0.032617  0.336756  1
  Al  Al29  1  0.198302  0.699284  0.336756  1
  Al  Al30  1  0.236334  0.070661  0.314106  1
  Al  Al31  1  0.610780  0.111754  0.294398  1
  Al  Al32  1  0.944113  0.778420  0.294398  1
  Al  Al33  1  0.277446  0.445087  0.294398  1
  Al  Al34  1  0.531635  0.365951  0.336756  1
  Al  Al35  1  0.569667  0.737328  0.314106  1
  Al  Al36  1  0.903000  0.403994  0.314106  1
  Al  Al37  1  0.678773  0.013096  0.346320  1
  Al  Al38  1  0.012106  0.679762  0.346320  1
  Al  Al39  1  0.934155  0.935152  0.388175  1
  Al  Al40  1  0.307127  0.974794  0.366884  1
  Al  Al41  1  0.640460  0.641461  0.366884  1
  Al  Al42  1  0.973793  0.308127  0.366884  1
  Al  Al43  1  0.345439  0.346429  0.346320  1
  Al  Al44  1  0.267488  0.601819  0.388175  1
  Al  Al45  1  0.600821  0.268485  0.388175  1
  Al  Al46  1  0.767488  0.101819  0.388175  1
  Al  Al47  1  0.100821  0.768485  0.388175  1
  Al  Al48  1  0.140460  0.141461  0.366884  1
  Al  Al49  1  0.512106  0.179762  0.346320  1
  Al  Al50  1  0.845439  0.846429  0.346320  1
  Al  Al51  1  0.178773  0.513096  0.346320  1
  Al  Al52  1  0.434155  0.435152  0.388175  1
  Al  Al53  1  0.473793  0.808127  0.366884  1
  Al  Al54  1  0.807127  0.474794  0.366884  1
  Al  Al55  1  0.580967  0.081967  0.398272  1
  Al  Al56  1  0.914301  0.748634  0.398272  1
  Al  Al57  1  0.954180  0.121847  0.377509  1
  Al  Al58  1  0.325838  0.160168  0.356319  1
  Al  Al59  1  0.659172  0.826834  0.356319  1
  Al  Al60  1  0.992505  0.493501  0.356319  1
  Al  Al61  1  0.247634  0.415300  0.398272  1
  Al  Al62  1  0.287513  0.788514  0.377509  1
  Al  Al63  1  0.620847  0.455181  0.377509  1
  Al  Al64  1  0.747634  0.915300  0.398272  1
  Al  Al65  1  0.080967  0.581967  0.398272  1
  Al  Al66  1  0.120847  0.955181  0.377509  1
  Al  Al67  1  0.492505  0.993501  0.356319  1
  Al  Al68  1  0.825838  0.660168  0.356319  1
  Al  Al69  1  0.159172  0.326834  0.356319  1
  Al  Al70  1  0.414301  0.248634  0.398272  1
  Al  Al71  1  0.454180  0.621847  0.377509  1
  Al  Al72  1  0.787513  0.288514  0.377509  1
  Al  Al73  1  0.561565  0.895902  0.408603  1
  Al  Al74  1  0.894899  0.562568  0.408603  1
  Al  Al75  1  0.816369  0.817377  0.450460  1
  Al  Al76  1  0.189121  0.856793  0.429641  1
  Al  Al77  1  0.522454  0.523460  0.429641  1
  Al  Al78  1  0.855787  0.190126  0.429641  1
  Al  Al79  1  0.228232  0.229235  0.408603  1
  Al  Al80  1  0.149703  0.484044  0.450460  1
  Al  Al81  1  0.483036  0.150710  0.450460  1
  Al  Al82  1  0.649703  0.984044  0.450460  1
  Al  Al83  1  0.983036  0.650710  0.450460  1
  Al  Al84  1  0.022454  0.023460  0.429641  1
  Al  Al85  1  0.394899  0.062568  0.408603  1
  Al  Al86  1  0.728232  0.729235  0.408603  1
  Al  Al87  1  0.061565  0.395902  0.408603  1
  Al  Al88  1  0.316369  0.317377  0.450460  1
  Al  Al89  1  0.355787  0.690126  0.429641  1
  Al  Al90  1  0.689121  0.356793  0.429641  1
  Al  Al91  1  0.463459  0.964468  0.460858  1
  Al  Al92  1  0.796792  0.631135  0.460858  1
  Al  Al93  1  0.836015  0.003688  0.440141  1
  Al  Al94  1  0.208737  0.043076  0.419098  1
  Al  Al95  1  0.542071  0.709742  0.419098  1
  Al  Al96  1  0.875404  0.376409  0.419098  1
  Al  Al97  1  0.130125  0.297802  0.460858  1
  Al  Al98  1  0.169349  0.670355  0.440141  1
  Al  Al99  1  0.502682  0.337021  0.440141  1
  Al  Al100  1  0.630125  0.797802  0.460858  1
  Al  Al101  1  0.963459  0.464468  0.460858  1
  Al  Al102  1  0.002682  0.837021  0.440141  1
  Al  Al103  1  0.375404  0.876409  0.419098  1
  Al  Al104  1  0.708737  0.543076  0.419098  1
  Al  Al105  1  0.042071  0.209742  0.419098  1
  Al  Al106  1  0.296792  0.131135  0.460858  1
  Al  Al107  1  0.336015  0.503688  0.440141  1
  Al  Al108  1  0.669349  0.170355  0.440141  1
  Al  Al109  1  0.443879  0.778223  0.471340  1
  Al  Al110  1  0.777212  0.444890  0.471340  1
  Al  Al111  1  0.698666  0.699683  0.513075  1
  Al  Al112  1  0.071283  0.738963  0.492273  1
  Al  Al113  1  0.404617  0.405630  0.492273  1
  Al  Al114  1  0.737950  0.072297  0.492273  1
  Al  Al115  1  0.110545  0.111556  0.471340  1
  Al  Al116  1  0.032000  0.366349  0.513075  1
  Al  Al117  1  0.365333  0.033016  0.513075  1
  Al  Al118  1  0.532000  0.866349  0.513075  1
  Al  Al119  1  0.865333  0.533016  0.513075  1
  Al  Al120  1  0.904617  0.905630  0.492273  1
  Al  Al121  1  0.277212  0.944890  0.471340  1
  Al  Al122  1  0.610545  0.611556  0.471340  1
  Al  Al123  1  0.943879  0.278223  0.471340  1
  Al  Al124  1  0.198666  0.199683  0.513075  1
  Al  Al125  1  0.237950  0.572297  0.492273  1
  Al  Al126  1  0.571283  0.238963  0.492273  1
  Al  Al127  1  0.345715  0.846732  0.523567  1
  Al  Al128  1  0.679048  0.513399  0.523567  1
  Al  Al129  1  0.718310  0.885992  0.502635  1
  Al  Al130  1  0.090928  0.925273  0.481833  1
  Al  Al131  1  0.424261  0.591939  0.481833  1
  Al  Al132  1  0.757594  0.258606  0.481833  1
  Al  Al133  1  0.012382  0.180066  0.523567  1
  Al  Al134  1  0.051644  0.552659  0.502635  1
  Al  Al135  1  0.384977  0.219326  0.502635  1
  Al  Al136  1  0.512382  0.680066  0.523567  1
  Al  Al137  1  0.845715  0.346732  0.523567  1
  Al  Al138  1  0.884977  0.719326  0.502635  1
  Al  Al139  1  0.257594  0.758606  0.481833  1
  Al  Al140  1  0.590928  0.425273  0.481833  1
  Al  Al141  1  0.924261  0.091939  0.481833  1
  Al  Al142  1  0.179048  0.013399  0.523567  1
  Al  Al143  1  0.218310  0.385992  0.502635  1
  Al  Al144  1  0.551644  0.052659  0.502635  1
  Al  Al145  1  0.326135  0.660487  0.534049  1
  Al  Al146  1  0.659469  0.327154  0.534049  1
  Al  Al147  1  0.580857  0.581880  0.575810  1
  Al  Al148  1  0.953578  0.621268  0.554766  1
  Al  Al149  1  0.286912  0.287934  0.554766  1
  Al  Al150  1  0.620245  0.954601  0.554766  1
  Al  Al151  1  0.992802  0.993821  0.534049  1
  Al  Al152  1  0.914190  0.248546  0.575810  1
  Al  Al153  1  0.247523  0.915213  0.575810  1
  Al  Al154  1  0.414190  0.748546  0.575810  1
  Al  Al155  1  0.747523  0.415213  0.575810  1
  Al  Al156  1  0.786912  0.787934  0.554766  1
  Al  Al157  1  0.159469  0.827154  0.534049  1
  Al  Al158  1  0.492802  0.493821  0.534049  1
  Al  Al159  1  0.826135  0.160487  0.534049  1
  Al  Al160  1  0.080857  0.081880  0.575810  1
  Al  Al161  1  0.120245  0.454601  0.554766  1
  Al  Al162  1  0.453578  0.121268  0.554766  1
  Al  Al163  1  0.228029  0.729054  0.586305  1
  Al  Al164  1  0.561362  0.395720  0.586305  1
  Al  Al165  1  0.600473  0.768163  0.565266  1
  Al  Al166  1  0.973225  0.807578  0.544447  1
  Al  Al167  1  0.306558  0.474245  0.544447  1
  Al  Al168  1  0.639891  0.140912  0.544447  1
  Al  Al169  1  0.894695  0.062387  0.586305  1
  Al  Al170  1  0.933807  0.434829  0.565266  1
  Al  Al171  1  0.267140  0.101496  0.565266  1
  Al  Al172  1  0.394695  0.562387  0.586305  1
  Al  Al173  1  0.728029  0.229054  0.586305  1
  Al  Al174  1  0.767140  0.601496  0.565266  1
  Al  Al175  1  0.139891  0.640912  0.544447  1
  Al  Al176  1  0.473225  0.307578  0.544447  1
  Al  Al177  1  0.806558  0.974245  0.544447  1
  Al  Al178  1  0.061362  0.895720  0.586305  1
  Al  Al179  1  0.100473  0.268163  0.565266  1
  Al  Al180  1  0.433807  0.934829  0.565266  1
  Al  Al181  1  0.208627  0.542989  0.596636  1
  Al  Al182  1  0.541960  0.209655  0.596636  1
  Al  Al183  1  0.463756  0.464788  0.638588  1
  Al  Al184  1  0.835414  0.503108  0.617399  1
  Al  Al185  1  0.168747  0.169775  0.617399  1
  Al  Al186  1  0.502081  0.836442  0.617399  1
  Al  Al187  1  0.875293  0.876322  0.596636  1
  Al  Al188  1  0.797089  0.131455  0.638588  1
  Al  Al189  1  0.130422  0.798121  0.638588  1
  Al  Al190  1  0.297089  0.631455  0.638588  1
  Al  Al191  1  0.630422  0.298121  0.638588  1
  Al  Al192  1  0.668747  0.669775  0.617399  1
  Al  Al193  1  0.041960  0.709655  0.596636  1
  Al  Al194  1  0.375293  0.376322  0.596636  1
  Al  Al195  1  0.708627  0.042989  0.596636  1
  Al  Al196  1  0.963756  0.964788  0.638588  1
  Al  Al197  1  1.002081  0.336442  0.617399  1
  Al  Al198  1  0.335414  1.003108  0.617399  1
  Al  Al199  1  0.110821  0.611860  0.648588  1
  Al  Al200  1  0.444154  0.278526  0.648588  1
  Al  Al201  1  0.482467  0.650161  0.628024  1
  Al  Al202  1  0.855439  0.689804  0.606733  1
  Al  Al203  1  0.188773  0.356470  0.606733  1
  Al  Al204  1  0.522106  0.023137  0.606733  1
  Al  Al205  1  0.777488  0.945193  0.648588  1
  Al  Al206  1  0.815800  0.316828  0.628024  1
  Al  Al207  1  0.149134  0.983495  0.628024  1
  Al  Al208  1  0.277488  0.445193  0.648588  1
  Al  Al209  1  0.610821  0.111860  0.648588  1
  Al  Al210  1  0.649134  0.483495  0.628024  1
  Al  Al211  1  0.022106  0.523137  0.606733  1
  Al  Al212  1  0.355439  0.189804  0.606733  1
  Al  Al213  1  0.688773  0.856470  0.606733  1
  Al  Al214  1  0.944154  0.778526  0.648588  1
  Al  Al215  1  0.982467  0.150161  0.628024  1
  Al  Al216  1  0.315800  0.816828  0.628024  1
  Al  Al217  1  0.091292  0.425671  0.658151  1
  Al  Al218  1  0.424625  0.092338  0.658151  1
  Al  Al219  1  0.345481  0.346535  0.700509  1
  Al  Al220  1  0.719927  0.387628  0.680802  1
  Al  Al221  1  0.053260  0.054295  0.680802  1
  Al  Al222  1  0.386594  0.720961  0.680802  1
  Al  Al223  1  0.757959  0.759005  0.658151  1
  Al  Al224  1  0.678814  0.013202  0.700509  1
  Al  Al225  1  0.012148  0.679869  0.700509  1
  Al  Al226  1  0.178814  0.513202  0.700509  1
  Al  Al227  1  0.512148  0.179869  0.700509  1
  Al  Al228  1  0.553260  0.554295  0.680802  1
  Al  Al229  1  0.924625  0.592338  0.658151  1
  Al  Al230  1  0.257959  0.259005  0.658151  1
  Al  Al231  1  0.591292  0.925671  0.658151  1
  Al  Al232  1  0.845481  0.846535  0.700509  1
  Al  Al233  1  0.886594  0.220961  0.680802  1
  Al  Al234  1  0.219927  0.887628  0.680802  1
  Al  Al235  1  0.991209  0.492298  0.709771  1
  Al  Al236  1  0.324542  0.158965  0.709771  1
  Al  Al237  1  0.365925  0.533632  0.690562  1
  Al  Al238  1  0.738078  0.572439  0.669237  1
  Al  Al239  1  0.071412  0.239106  0.669237  1
  Al  Al240  1  0.404745  0.905773  0.669237  1
  Al  Al241  1  0.657875  0.825631  0.709771  1
  Al  Al242  1  0.699259  0.200299  0.690562  1
  Al  Al243  1  0.032592  0.866965  0.690562  1
  Al  Al244  1  0.157875  0.325631  0.709771  1
  Al  Al245  1  0.491209  0.992298  0.709771  1
  Al  Al246  1  0.532592  0.366965  0.690562  1
  Al  Al247  1  0.904745  0.405773  0.669237  1
  Al  Al248  1  0.238078  0.072439  0.669237  1
  Al  Al249  1  0.571412  0.739106  0.669237  1
  Al  Al250  1  0.824542  0.658965  0.709771  1
  Al  Al251  1  0.865925  0.033632  0.690562  1
  Al  Al252  1  0.199259  0.700299  0.690562  1
